2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

C17H23ClN4 — CID 120907721

IUPAC2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.c1ccc(-c2[nH]ncc2CN2CCC3(CCNC3)C2)cc1
InChIInChI=1S/C17H22N4.ClH/c1-2-4-14(5-3-1)16-15(10-19-20-16)11-21-9-7-17(13-21)6-8-18-12-17;/h1-5,10,18H,6-9,11-13H2,(H,19,20);1H
InChIKeyVCEHDASIFRFNFK-UHFFFAOYSA-N
MW318.85 g/mol
LogP2.68
Rot. Bonds3

About 2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (PubChem CID 120907721) has the molecular formula C17H23ClN4 and a molecular weight of 318.85 g/mol. Its IUPAC name is 2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.

Molecular Properties

Compound Name2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
PubChem CID120907721
Molecular FormulaC17H23ClN4
Molecular Weight318.85 g/mol
Exact Mass318.16
IUPAC Name2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.c1ccc(-c2[nH]ncc2CN2CCC3(CCNC3)C2)cc1
InChIInChI=1S/C17H22N4.ClH/c1-2-4-14(5-3-1)16-15(10-19-20-16)11-21-9-7-17(13-21)6-8-18-12-17;/h1-5,10,18H,6-9,11-13H2,(H,19,20);1H
InChIKeyVCEHDASIFRFNFK-UHFFFAOYSA-N
XLogP2.68
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The IUPAC name of 2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (CID 120907721) is 2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.
What is the SMILES notation for 2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The canonical SMILES for 2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is Cl.c1ccc(-c2[nH]ncc2CN2CCC3(CCNC3)C2)cc1.
What is the InChIKey of 2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The InChIKey is VCEHDASIFRFNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4.ClH/c1-2-4-14(5-3-1)16-15(10-19-20-16)11-21-9-7-17(13-21)6-8-18-12-17;/h1-5,10,18H,6-9,11-13H2,(H,19,20);1H.
What are the key properties of 2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is sourced from PubChem (CID 120907721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).